Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "868b3ec8b8fc4425b091dd187dde71c0",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 84.320,
"b": 67.970,
"c": 184.494,
"alpha": 90.00,
"beta": 99.33,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.94,1.45],
"number_observations_unique": 181639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.47,1.45],
"number_observations_unique": 8893,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.424
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
}
]
}